| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2004 | 12 | Yes |
Popular Name: 1-(1,3-Benzodioxol-5-yl)ethanamine 1-(1,3-Benzodioxol-5-yl)ethanamine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1170217-91-0 , 121734-64-3 , 210488-52-1 , [121734-64-3]
(1S)-1-(1,3-benzodioxol-5-yl)ethanamine
(S)-1-(Benzo[d][1,3]dioxol-5-yl)ethanamine
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -0.31 | 1.91 | -50.1 | 3 | 3 | 1 | 46 | 166.2 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 218 - 220 | Enamine Building Blocks |
| MP | 218...220 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
